4404-0008 Screening compound: 3,6-diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

4404-0008 Screening compound: 3,6-diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
4404-0008 Screening compound: 3,6-diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4404-0008
3,6-diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4404-0008

Molecular Formula

C32H37NO9 (C32 H37 NO9)

Compound Name

3,6-diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

IUPAC name

36-diethyl 7-(3-methoxyphenyl)-2-methyl-5-oxo-4-(345-trimethoxyphenyl)-145678-hexahydroquinoline-36-dicarboxylate

SMILES

CCOC(C(C(CC1=C2C(c(cc3OC)cc(OC)c3OC)C(C(OCC)=O)=C(C)N1)c1cc(OC)ccc1)C2=O)=O

InChI

InChI=1S/C32H37NO9/c1-8-41-31(35)25-17(3)33-22-16-21(18-11-10-12-20(13-18)37-4)27(32(36)42-9-2)29(34)28(22)26(25)19-14-23(38-5)30(40-7)24(15-19)39-6/h10-15,21,26-27,33H,8-9,16H2,1-7H3

InChI Key

SQLJEJPTWFIORJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.65

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.716

Distribution Coefficient, logD

0.494

Water Solubility, LogSw

-4.45

Polar Surface Area

95.577

Acid Dissociation Constant (pKa)

3.18

Base Dissociation Constant (pKb)

-3.78

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

40.60

4404-0008 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4404-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4404-0008?
Check Price and Availability of 4404-0008, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4404-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4404-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4404-0008
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4404-0008 available by request